Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate
TL;DR: Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate (CAS 104484-91-5) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(4-tert-butylbenzoyl)amino]carbamate
Also Known As: methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate, methyl N-[(4-tert-butylbenzoyl)amino]carbamate, AN-329/41044392, [4-(tert-butyl)phenyl]-N-(methoxycarbonylamino)carboxamide, methyl 2-[(4-tert-butylphenyl)carbonyl]hydrazinecarboxylate
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 104484-91-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)OC |
| InChIKey | KEEUWAUVDGQLBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate (CAS 104484-91-5), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: methyl N-[(4-tert-butylbenzoyl)amino]carbamate.
Chemical Property Profile of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate
Property Insights of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate?
The CAS number of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate is 104484-91-5.
What is the molecular formula of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate?
The molecular formula of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate is C13H18N2O3.
What is the molecular weight of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate?
The molecular weight of Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate is 250.13 g/mol.
Where can I buy Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate?
You can request a quote for Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-tert-butylbenzoyl)hydrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.